Geometry & MOs

Info

ID:	260599
PubChem CID:	103196818
Reduced:	FN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	292.158706
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	3.34
IP(EA), eV:	-9.63(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)N2CCCC3C2CNC3=O)O

DOS

IR

Vibrations